Mol:FL5F1CNS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3202 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3202 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 -1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 -1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8763 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1618 1.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1618 1.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8763 0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8763 0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 23 -6.3693 3.6075 | + | M SBV 1 23 -6.3693 3.6075 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F1CNS0004 | + | ID FL5F1CNS0004 |
| − | KNApSAcK_ID C00004582 | + | KNApSAcK_ID C00004582 |
| − | NAME Fisetin 4'-methyl ether | + | NAME Fisetin 4'-methyl ether |
| − | CAS_RN 57396-72-2 | + | CAS_RN 57396-72-2 |
| − | FORMULA C16H12O6 | + | FORMULA C16H12O6 |
| − | EXACTMASS 300.063388116 | + | EXACTMASS 300.063388116 |
| − | AVERAGEMASS 300.26288 | + | AVERAGEMASS 300.26288 |
| − | SMILES COc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c2)c(cc(O)c2)1 | + | SMILES COc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c2)c(cc(O)c2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.3202 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 -1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 1.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -6.3693 3.6075
S SKP 8
ID FL5F1CNS0004
KNApSAcK_ID C00004582
NAME Fisetin 4'-methyl ether
CAS_RN 57396-72-2
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES COc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c2)c(cc(O)c2)1
M END
